⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11956094 | 0.85 | KMT2A (0.31) | — | |
| SCHEMBL13472096 | 0.84 | METTL3 (0.37) | — | |
| SCHEMBL13250853 | 0.84 | METTL3 (0.37) | — | |
| SCHEMBL11956472 | 0.84 | METTL3 (0.37) | — | |
| SCHEMBL11956473 | 0.83 | — | — | |
| SCHEMBL16850594 | 0.78 | KMT2A (0.49) | — | |
| SCHEMBL11948596 | 0.78 | KMT2A (0.49) | — | |
| SCHEMBL13862193 | 0.77 | METTL3 (0.47) | — | |
| SCHEMBL12961416 | 0.76 | — | — | |
| SCHEMBL13862218 | 0.76 | METTL3 (0.48) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8232401-B2 | Useful as an anti-HIV agent that particularly shows an anti-HIV action based on an integrase inhibitory activity; for treatment or prophylaxis of AIDS; for example, 6-(2,3-dichlorobenzyl)-1-(2-hydroxyethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | JAPAN TOBACCO INC. (JP) | 2012-07-31 | — | — | US | disclosed |
| US-7531554-B2 | Useful as an anti-HIV agent that particularly shows an anti-HIV action based on an integrase inhibitory activity; for treatment or prophylaxis of AIDS; for example, 6-(2,3-dichlorobenzyl)-1-(2-hydroxyethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | JAPAN TOBACCO INC. (JP) | 2009-05-12 | — | — | US | disclosed |